(Q76279142)

English

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-(2-adamantylamino)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

type of chemical entity

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chemical compound

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475.24174638399984 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₇NO₁₀

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canonical SMILES

OCC1OC(OC2C(CO)OC(NC3C4CC5CC(C4)CC3C5)C(O)C2O)C(O)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1C2CC3CC1CC(C2)C3N[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

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Identifiers

InChI=1S/C22H37NO10/c24-6-12-15(26)16(27)19(30)22(32-12)33-20-13(7-25)31-21(18(29)17(20)28)23-14-10-2-8-1-9(4-10)5-11(14)3-8/h8-30H,1-7H2/t8?,9?,10?,11?,12-,13-,14?,15-,16+,17-,18+,19-,20-,21-,22+/m1/s1

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DMUIWVYYEDVXRR-OCXOTAFCSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

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